1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea

C13H17ClN2O2 — CID 6467040

IUPAC1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-9(12-3-2-8-18-12)15-13(17)16-11-6-4-10(14)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H2,15,16,17)
InChIKeyXGXSABFVSMKQSP-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 6467040) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID6467040
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-9(12-3-2-8-18-12)15-13(17)16-11-6-4-10(14)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H2,15,16,17)
InChIKeyXGXSABFVSMKQSP-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 6467040) is 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)Nc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is XGXSABFVSMKQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(12-3-2-8-18-12)15-13(17)16-11-6-4-10(14)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 268.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 6467040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).